SCHEMBL20161664

SCHEMBL20161664

C=CC(=O)N1CCN(C)C[C@H]1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.36
TSHR P16473 3/20 0.34
MAPT P10636 1/20 0.34
TXK P42681 3/20 0.32
BTK Q06187 3/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SRC P12931 1/20 0.31
JAK1 P23458 1/20 0.31
TEC P42680 1/20 0.31
BLK P51451 1/20 0.31
BMX P51813 1/20 0.31
ITK Q08881 1/20 0.31
ERBB4 Q15303 1/20 0.31
HHAT Q5VTY9 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21610061 1.00 JAK3 (0.36) JAK3TSHRMAPTTXKBTK
SCHEMBL24476768 1.00 JAK3 (0.36) JAK3TSHRMAPTTXKBTK
SCHEMBL20161644 0.89 SRC (0.35) JAK3TSHRMAPTTXKBTK
SCHEMBL20161646 0.89 SRC (0.35) JAK3TSHRMAPTTXKBTK
SCHEMBL2033628 0.82
SCHEMBL22969806 0.80 JAK3 (0.35) JAK3TSHRMAPTTXKBTK
SCHEMBL24467244 0.80 JAK3 (0.35) JAK3TSHRMAPTTXKBTK
SCHEMBL24476810 0.79
SCHEMBL20334385 0.79 ATM (0.33) JAK3SRC
SCHEMBL28914980 0.79 JAK3 (0.37) JAK3TSHRMAPTTXKBTK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022111513-A1 AROMATIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州多域生物技术有限公司 2022-06-02 WO disclosed
EP-3534899-B1 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS INC (US) 2022-06-01 EP disclosed
WO-2021086833-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2021-05-06 WO disclosed
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-07-26 US disclosed
WO-2018089261-A2 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 JAK3 301/4885TSHR 3200/4885MAPT 361/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.